(3Z)-3-benzylidene-2,2-dimethyloxolane

C13H16O — CID 177435571

IUPAC(3Z)-3-benzylidene-2,2-dimethyloxolane
SMILESCC1(C)OCC/C1=C/c1ccccc1
InChIInChI=1S/C13H16O/c1-13(2)12(8-9-14-13)10-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/b12-10-
InChIKeyBKUVBOLTXIRWOR-BENRWUELSA-N
MW188.27 g/mol
LogP3.27
Rot. Bonds1

About (3Z)-3-benzylidene-2,2-dimethyloxolane

(3Z)-3-benzylidene-2,2-dimethyloxolane (PubChem CID 177435571) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (3Z)-3-benzylidene-2,2-dimethyloxolane.

Molecular Properties

Compound Name(3Z)-3-benzylidene-2,2-dimethyloxolane
PubChem CID177435571
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(3Z)-3-benzylidene-2,2-dimethyloxolane
SMILESCC1(C)OCC/C1=C/c1ccccc1
InChIInChI=1S/C13H16O/c1-13(2)12(8-9-14-13)10-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/b12-10-
InChIKeyBKUVBOLTXIRWOR-BENRWUELSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3E)-3-benzylidene-2,2-dimethylcyclobutan-1-ol
CID 46919084
(3R,3'E)-3'-benzylidenespiro[2H-isoindole-3,2'-oxolane]-1-one
CID 166445870
(3R,3'E)-3'-benzylidene-5-methylspiro[2H-isoindole-3,2'-oxolane]-1-one
CID 166445877
[(E)-[(2E)-2-benzylidenecyclohexylidene]methyl]-trimethylsilane
CID 10539037
(3E)-2,2-dimethyl-3-[(4-phenylphenyl)methylidene]cyclobutan-1-ol
CID 46919184
(1R,4Z,5R,6S)-4-benzylidene-5-methyl-7-methylidene-2-oxatricyclo[4.3.2.01,5]undecane
CID 101348486
2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane
CID 11469817
2-methyl-2-(2-phenylethenyl)-1,4-dioxane
CID 57070203
6-benzylidene-2,2-dimethylcyclohexan-1-one
CID 598624
cis-(1R,3R,4Z)-4-benzylidene-3-but-3-enyl-1-methylcyclohexane-1,3-diol
CID 177493543
(2E)-1-methyl-2-[(4-methylphenyl)methylidene]-3,4-dihydronaphthalen-1-ol
CID 10539566
cyclohexylidenemethylbenzene
CID 4158813

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-benzylidene-2,2-dimethyloxolane?
The IUPAC name of (3Z)-3-benzylidene-2,2-dimethyloxolane (CID 177435571) is (3Z)-3-benzylidene-2,2-dimethyloxolane.
What is the SMILES notation for (3Z)-3-benzylidene-2,2-dimethyloxolane?
The canonical SMILES for (3Z)-3-benzylidene-2,2-dimethyloxolane is CC1(C)OCC/C1=C/c1ccccc1.
What is the InChIKey of (3Z)-3-benzylidene-2,2-dimethyloxolane?
The InChIKey is BKUVBOLTXIRWOR-BENRWUELSA-N. The full InChI is InChI=1S/C13H16O/c1-13(2)12(8-9-14-13)10-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/b12-10-.
What are the key properties of (3Z)-3-benzylidene-2,2-dimethyloxolane?
(3Z)-3-benzylidene-2,2-dimethyloxolane has a molecular weight of 188.27 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-2,2-dimethyloxolane is sourced from PubChem (CID 177435571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).